Geometry & MOs

Info

ID:	241007
PubChem CID:	93621112
Reduced:	OF3N4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	243.067762
ΔH_f, kcal/mol:	-199.54
Dipole, Da:	5.37
IP(EA), eV:	-9.68(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CNC(=O)[C@@H]3CCC[C@@H](C3)C(F)(F)F

DOS

IR

Vibrations